1-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]-3-(4-methoxyphenyl)thiourea Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=S)NC3=CC=C(C=C3)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=S)NC3=CC=C(C=C3)OC)C#N)C

InChI

InChI=1S/C22H23N5OS/c1-14-10-15(2)19-12-16(13-23)21(27-20(19)11-14)24-8-9-25-22(29)26-17-4-6-18(28-3)7-5-17/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H2,25,26,29)